Theoretical Study on the Structural and Electronic Properties of Thiocarbamide Hydrochloride

In the present paper, the electronic band structure, density of states （DOS）, and projected density of states （PDOS） analysis of thiocarbamide hydrochloride are reported. Calculations of the electronic properties have been carried out on the basis of fully self-consistent pseudopotential method using DFT. The results show that near the Fermi level, more prominent densities of states are seen between -8 eV and -6 eV in the valence band mainly due to the Cl-3p, N-2p and S-3p orbitals.     

Ti类氦Kα线在高温稠密等离子体中的漂移

采用离子球模型,通过自洽求解Dirac方程和Poisson方程,得到类氦Ti离子Kα线系的两条电偶极辐射光谱能量随不同等离子体环境的变化关系.同时分析了束缚电子交换能随等离子体环境的变化规律.结果表明：光谱能量漂移量随等离子体电子密度变化呈现出很好的线性关系.对此,拟合得到Ti类氦Kα线光谱能量漂移量随等离子体环境参数变化的公式,对探索高温高密度等离子体诊断方法具有一定意义. 关键词： 类氦离子 自洽场离子球模型 光谱漂移 等离子体诊断